5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-8-(thiophen-2-ylmethyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-8-(thiophen-2-ylmethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-(2-thienylmethyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-(2-thenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C=C(C=C2)CC3=CC=CS3)SC(C(C1=O)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)CCN1C2=C(C=C(C=C2)CC3=CC=CS3)SC(C(C1=O)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H28N2O3S2/c1-26(2)12-13-27-21-11-6-17(15-20-5-4-14-31-20)16-22(21)32-24(23(28)25(27)29)18-7-9-19(30-3)10-8-18/h4-11,14,16,23-24,28H,12-13,15H2,1-3H3